SCHEMBL3746479

SCHEMBL3746479

N=C(NO)c1c(F)ccc(OCc2nc3cc(Cl)ccc3s2)c1F

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.43
EPHX2 P34913 7/20 0.41
HDAC6 Q9UBN7 2/20 0.41
ALOX5 P09917 7/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
F9 P00740 1/20 0.37
F10 P00742 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
AKR1B1 P15121 1/20 0.36
PTGER4 P35408 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3753451 0.89 LOXL2 (0.43) LOXL2EPHX2HDAC6ALOX5NPC1
SCHEMBL3656822 0.88 LOXL2 (0.47) LOXL2EPHX2HDAC6ALOX5NPC1
SCHEMBL3756547 0.85 EPHX2 (0.43) LOXL2EPHX2HDAC6ALOX5NPC1
SCHEMBL15689586 0.84 HDAC6 (0.51) LOXL2EPHX2HDAC6ALOX5NPC1
SCHEMBL15689757 0.84 HDAC6 (0.48) LOXL2EPHX2HDAC6ALOX5NPC1
SCHEMBL2320663 0.83 HDAC6 (0.47) LOXL2EPHX2HDAC6ALOX5NPC1
SCHEMBL15278217 0.83 AKR1B1 (0.45) LOXL2EPHX2HDAC6ALOX5MAPT
SCHEMBL21104409 0.83 EPHX2 (0.46) LOXL2EPHX2HDAC6ALOX5MAPT
SCHEMBL15713307 0.82 EPHX2 (0.47) LOXL2EPHX2HDAC6ALOX5MAPT
SCHEMBL15689693 0.82 HDAC6 (0.47) LOXL2EPHX2HDAC6ALOX5NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203219-B1 SUBSTITUTED BENZAMIDINES AS ANTIBACTERIAL AGENTS BIOTA SCIENT MANAGEMENT (AU) 2015-02-25 EP disclosed
US-8415383-B2 Substituted benzamidines as antibacterial agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-04-09 US disclosed
US-20100298388-A1 SUBSTITUTED BENAMIDINES AS ANTIBACTERIAL AGENTS BIOTA EUROPE LTD. (GB) 2010-11-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100298388-A1 SUBSTITUTED BENAMIDINES AS ANTIBACTERIAL AGENTS ALK, CBR3, CBR1 LOXL2 575/4885EPHX2 2510/4885HDAC6 3087/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.